Geometry & MOs

Info

ID:	174542
PubChem CID:	75781643
Reduced:	SCl2N3O3H17C22 (1)
Stoich.:	AB2C3D3E17F22 (1)
Weight, g/mol:	433.146013
ΔH_f, kcal/mol:	-7.31
Dipole, Da:	3.33
IP(EA), eV:	-9.1(-1.06)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(5-butoxy-[1,3]thiazolo[4,5-f]quinolin-2-yl)-3-(4-methoxyphenyl)prop-2-enamide

Drug info:

PubChemData

Smile

CC1=CC=C(S1)C2=NOC(=N2)C3=CC=C(C=C3)NC(=O)C(C)OC4=C(C=C(C=C4)Cl)Cl

DOS

IR

Vibrations